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PubMed code 21334204

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338624
PNG
((R)-3-amino-1-(3-(4-(methoxycarbonyl)phenyl)-6,7-d...)
Show SMILES COC(=O)c1ccc(cc1)-c1nnn2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C23H22F3N5O3/c1-34-23(33)14-4-2-13(3-5-14)22-20-12-30(6-7-31(20)29-28-22)21(32)10-16(27)8-15-9-18(25)19(26)11-17(15)24/h2-5,9,11,16H,6-8,10,12,27H2,1H3/t16-/m1/s1
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n/an/a 12.4n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338635
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(3-(methox...)
Show SMILES COC(=O)c1nnn2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C17H18F3N5O3/c1-28-17(27)16-14-8-24(2-3-25(14)23-22-16)15(26)6-10(21)4-9-5-12(19)13(20)7-11(9)18/h5,7,10H,2-4,6,8,21H2,1H3/t10-/m1/s1
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n/an/a 15.1n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338619
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(3-(furan-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(-c3ccco3)c2C1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H18F3N5O2/c20-13-9-15(22)14(21)7-11(13)6-12(23)8-18(28)26-3-4-27-16(10-26)19(24-25-27)17-2-1-5-29-17/h1-2,5,7,9,12H,3-4,6,8,10,23H2/t12-/m1/s1
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n/an/a 15.8n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338615
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(6,7-dihyd...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(-c3cnco3)c2C1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C18H17F3N6O2/c19-12-6-14(21)13(20)4-10(12)3-11(22)5-17(28)26-1-2-27-15(8-26)18(24-25-27)16-7-23-9-29-16/h4,6-7,9,11H,1-3,5,8,22H2/t11-/m1/s1
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n/an/a 17.8n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 19.4n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338637
PNG
((R)-3-amino-1-(3-(difluoromethyl)-6,7-dihydro-[1,2...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(C(F)F)c2C1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H16F5N5O/c17-10-6-12(19)11(18)4-8(10)3-9(22)5-14(27)25-1-2-26-13(7-25)15(16(20)21)23-24-26/h4,6,9,16H,1-3,5,7,22H2/t9-/m1/s1
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n/an/a 22.5n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338617
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(6,7-dihyd...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(-c3cccs3)c2C1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H18F3N5OS/c20-13-9-15(22)14(21)7-11(13)6-12(23)8-18(28)26-3-4-27-16(10-26)19(24-25-27)17-2-1-5-29-17/h1-2,5,7,9,12H,3-4,6,8,10,23H2/t12-/m1/s1
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n/an/a 22.8n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338618
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(3-(furan-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(-c3ccoc3)c2C1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H18F3N5O2/c20-14-8-16(22)15(21)6-12(14)5-13(23)7-18(28)26-2-3-27-17(9-26)19(24-25-27)11-1-4-29-10-11/h1,4,6,8,10,13H,2-3,5,7,9,23H2/t13-/m1/s1
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n/an/a 26.2n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338625
PNG
((R)-3-amino-1-(3-(4-(dimethyamide)phenyl)-6,7-dihy...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1nnn2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H25F3N6O2/c1-31(2)24(35)15-5-3-14(4-6-15)23-21-13-32(7-8-33(21)30-29-23)22(34)11-17(28)9-16-10-19(26)20(27)12-18(16)25/h3-6,10,12,17H,7-9,11,13,28H2,1-2H3/t17-/m1/s1
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n/an/a 26.6n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338621
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(6,7-dihyd...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccncc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H19F3N6O/c21-15-10-17(23)16(22)8-13(15)7-14(24)9-19(30)28-5-6-29-18(11-28)20(26-27-29)12-1-3-25-4-2-12/h1-4,8,10,14H,5-7,9,11,24H2/t14-/m1/s1
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n/an/a 28.6n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338634
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(3-(amide)...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(C(N)=O)c2C1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H17F3N6O2/c17-10-6-12(19)11(18)4-8(10)3-9(20)5-14(26)24-1-2-25-13(7-24)15(16(21)27)22-23-25/h4,6,9H,1-3,5,7,20H2,(H2,21,27)/t9-/m1/s1
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n/an/a 29.9n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338628
PNG
((R)-3-amino-1-(3-(4-(cyano)phenyl)-6,7-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccc(cc1)C#N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C22H19F3N6O/c23-17-10-19(25)18(24)8-15(17)7-16(27)9-21(32)30-5-6-31-20(12-30)22(28-29-31)14-3-1-13(11-26)2-4-14/h1-4,8,10,16H,5-7,9,12,27H2/t16-/m1/s1
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n/an/a 30.0n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338622
PNG
((R)-3-amino-1-(3-(4-(mesyl)phenyl)-6,7-dihydro-[1,...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nnn2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C22H22F3N5O3S/c1-34(32,33)16-4-2-13(3-5-16)22-20-12-29(6-7-30(20)28-27-22)21(31)10-15(26)8-14-9-18(24)19(25)11-17(14)23/h2-5,9,11,15H,6-8,10,12,26H2,1H3/t15-/m1/s1
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n/an/a 33.2n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338620
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(6,7-dihyd...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccccn1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H19F3N6O/c21-14-10-16(23)15(22)8-12(14)7-13(24)9-19(30)28-5-6-29-18(11-28)20(26-27-29)17-3-1-2-4-25-17/h1-4,8,10,13H,5-7,9,11,24H2/t13-/m1/s1
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n/an/a 33.3n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338623
PNG
((R)-3-amino-1-(3-(4-(carboxyl)phenyl)-6,7-dihydro-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C22H20F3N5O3/c23-16-10-18(25)17(24)8-14(16)7-15(26)9-20(31)29-5-6-30-19(11-29)21(27-28-30)12-1-3-13(4-2-12)22(32)33/h1-4,8,10,15H,5-7,9,11,26H2,(H,32,33)/t15-/m1/s1
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n/an/a 33.8n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338626
PNG
((R)-3-amino-1-(3-(4-(amide)phenyl)-6,7-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccc(cc1)C(N)=O)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C22H21F3N6O2/c23-16-10-18(25)17(24)8-14(16)7-15(26)9-20(32)30-5-6-31-19(11-30)21(28-29-31)12-1-3-13(4-2-12)22(27)33/h1-4,8,10,15H,5-7,9,11,26H2,(H2,27,33)/t15-/m1/s1
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n/an/a 36.4n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338632
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(3-(4-phen...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H20F3N5O/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(30)28-6-7-29-19(12-28)21(26-27-29)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,25H2/t15-/m1/s1
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n/an/a 37.5n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338631
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(3-(4-fluo...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H19F4N5O/c22-14-3-1-12(2-4-14)21-19-11-29(5-6-30(19)28-27-21)20(31)9-15(26)7-13-8-17(24)18(25)10-16(13)23/h1-4,8,10,15H,5-7,9,11,26H2/t15-/m1/s1
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n/an/a 45.2n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338627
PNG
((R)-3-amino-1-(3-(3-(methoxycarbonyl)phenyl)-6,7-d...)
Show SMILES COC(=O)c1cccc(c1)-c1nnn2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C23H22F3N5O3/c1-34-23(33)14-4-2-3-13(7-14)22-20-12-30(5-6-31(20)29-28-22)21(32)10-16(27)8-15-9-18(25)19(26)11-17(15)24/h2-4,7,9,11,16H,5-6,8,10,12,27H2,1H3/t16-/m1/s1
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n/an/a 46.6n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338630
PNG
((R)-3-amino-1-(3-(4-chlorophenyl)-6,7-dihydro-[1,2...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccc(Cl)cc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H19ClF3N5O/c22-14-3-1-12(2-4-14)21-19-11-29(5-6-30(19)28-27-21)20(31)9-15(26)7-13-8-17(24)18(25)10-16(13)23/h1-4,8,10,15H,5-7,9,11,26H2/t15-/m1/s1
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n/an/a 46.9n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338616
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(6,7-dihyd...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(-c3ccsc3)c2C1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H18F3N5OS/c20-14-8-16(22)15(21)6-12(14)5-13(23)7-18(28)26-2-3-27-17(9-26)19(24-25-27)11-1-4-29-10-11/h1,4,6,8,10,13H,2-3,5,7,9,23H2/t13-/m1/s1
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n/an/a 47.3n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338636
PNG
((R)-3-amino-1-(3-(trifluoromethyl)-6,7-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)15(24-25-27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 50.7n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338633
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(3-(dimeth...)
Show SMILES CN(C)C(=O)c1nnn2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C18H21F3N6O2/c1-25(2)18(29)17-15-9-26(3-4-27(15)24-23-17)16(28)7-11(22)5-10-6-13(20)14(21)8-12(10)19/h6,8,11H,3-5,7,9,22H2,1-2H3/t11-/m1/s1
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n/an/a 52.3n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338629
PNG
((R)-3-amino-1-(3-(4-(trifluoromethyl)phenyl)-6,7-d...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C22H19F6N5O/c23-16-10-18(25)17(24)8-13(16)7-15(29)9-20(34)32-5-6-33-19(11-32)21(30-31-33)12-1-3-14(4-2-12)22(26,27)28/h1-4,8,10,15H,5-7,9,11,29H2/t15-/m1/s1
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n/an/a 75.3n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338638
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(6,7-dihyd...)
Show SMILES Cc1nnn2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H18F3N5O/c1-9-15-8-23(2-3-24(15)22-21-9)16(25)6-11(20)4-10-5-13(18)14(19)7-12(10)17/h5,7,11H,2-4,6,8,20H2,1H3/t11-/m1/s1
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n/an/a 77.1n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338639
PNG
((R)-3-amino-4-(2,4,5-trifluorophenyl)-1-(6,7-dihyd...)
Show SMILES N[C@@H](CC(=O)N1CCn2nncc2C1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C15H16F3N5O/c16-12-6-14(18)13(17)4-9(12)3-10(19)5-15(24)22-1-2-23-11(8-22)7-20-21-23/h4,6-7,10H,1-3,5,8,19H2/t10-/m1/s1
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n/an/a 89.5n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%